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NCID-ZINC01643519

 MMsINC code: MMs02284954
Type: Neutral
Formula: C11H20N4O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)N1CCCC1)C
InChI:   InChI=1/C11H20N4O4/c1-7(13-10(18)8(12)6-9(16)17)14-11(19)15-4-2-3-5-15/h7-8H,2-6,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=-9.1318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.305 g/mol  logS: -0.00035  SlogP: -0.944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121264  Sterimol/B1: 2.09626  Sterimol/B2: 2.55517  Sterimol/B3: 4.30641
  Sterimol/B4: 8.47071  Sterimol/L: 14.206 
 
 Surface and Volume Properties
  Accessible surface: 522.292  Positive charged surface: 380.667  Negative charged surface: 141.625  Volume: 253.25
  Hydrophobic surface: 291.876  Hydrophilic surface: 230.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.